Information card for entry 4113786

Structure parameters

• Formula: C35 H30 Cl4 N2 O2 P2 Pt
• Calculated formula: C35 H30 Cl4 N2 O2 P2 Pt
• SMILES: c1(cccc(n1)O)[P](c1ccccc1)(c1ccccc1)[Pt](Cl)(Cl)[P](c1cccc(=O)[nH]1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Hydrogen Bonding as a Construction Element for Bidentate Donor Ligands in Homogeneous Catalysis: Regioselective Hydroformylation of Terminal Alkenes
• Authors of publication: Bernhard Breit; Wolfgang Seiche
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6608 - 6609
• a: 16.8292 ± 0.0003 Å
• b: 11.1616 ± 0.0002 Å
• c: 18.6043 ± 0.0003 Å
• α: 90°
• β: 101.781 ± 0.0011°
• γ: 90°
• Cell volume: 3421.03 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No